[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-3-methoxy-2-oxidanyl-propyl]azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-3-methoxy-2-oxidanyl-propyl]azanium Openeye Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-methoxypropyl]ammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-methoxypropyl]azanium Traditional Name: [1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](CC(COC)O)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](C[C@H](COC)O)C3CC3

InChI

InChI=1S/C23H34N2O2/c1-23(2,3)19-9-7-18(8-10-19)14-24-13-5-6-21(24)15-25(20-11-12-20)16-22(26)17-27-4/h5-10,13,20,22,26H,11-12,14-17H2,1-4H3/p+1/t22-/m1/s1